CID 116004

63979-38-4

Structural Information

Molecular Formula
C10H19N5O
SMILES
CCCCCCCOC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C10H19N5O/c1-2-3-4-5-6-7-16-10-14-8(11)13-9(12)15-10/h2-7H2,1H3,(H4,11,12,13,14,15)
InChIKey
VRNJKSSGPWBMEW-UHFFFAOYSA-N
Compound name
6-heptoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.15897 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.166246 153.4
[M+Na]+ 248.148188 160.7
[M-H]- 224.151694 152.0
[M+NH4]+ 243.192793 167.0
[M+K]+ 264.122128 157.6
[M+H-H2O]+ 208.156230 144.4
[M+HCOO]- 270.157171 174.8
[M+CH3COO]- 284.172821 195.5
[M+Na-2H]- 246.133636 158.5
[M]+ 225.15842142 154.0
[M]- 225.15951858 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.